2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C14H13N3O2 — CID 165470667

IUPAC2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCOCc1nc2cc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N3O2/c1-19-9-12-15-13-7-11(8-14(18)17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKLXQVSHBJKWTQT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds3

About 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165470667) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165470667
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCOCc1nc2cc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N3O2/c1-19-9-12-15-13-7-11(8-14(18)17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKLXQVSHBJKWTQT-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165470667) is 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is COCc1nc2cc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is KLXQVSHBJKWTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-9-12-15-13-7-11(8-14(18)17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165470667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).